Pigeonite
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-6, after the final in situ run to 500 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003152
9.718 8.951 5.250 90 108.50 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3384 .1704       .007   .006   .009   .007  -.001   .002   .000
O1b   .3734 .8374 .1339       .007   .006   .007   .007   .002   .002   .001
O2A   .1220 .4997 .3315       .009   .013   .006   .011  -.005   .006   .001
O2B   .6281 .9868 .3717       .014   .013   .010   .020  -.006   .008  -.004
O3A   .1041 .2370 .0798       .012   .006   .014   .014   .000   .001  -.008
O3B   .6043 .7098 .4800       .011   .006   .017   .010   .001   .002   .005
SiA   .0424 .3407 .2780       .006   .004   .005   .008  -.001   .002  -.002
SiB   .5498 .8370 .2377       .005   .005   .004   .007   .000   .002   .000
MgM1  .2505 .6546 .2303 .7010 .006   .006   .005   .006  -.001   .001  -.001
FeM1  .2505 .6546 .2303 .2736 .006   .006   .005   .006  -.001   .001  -.001
MnM1  .2505 .6546 .2303 .0086 .006   .006   .005   .006  -.001   .001  -.001
CaM2  .2554 .0194 .2281 .1803 .011   .009   .015   .007   .002  -.001   .002
MgM2  .2554 .0194 .2281 .2406 .011   .009   .015   .007   .002  -.001   .002
FeM2  .2554 .0194 .2281 .5607 .011   .009   .015   .007   .002  -.001   .002
MnM2  .2554 .0194 .2281 .0184 .011   .009   .015   .007   .002  -.001   .002